SCHEMBL3028207

SCHEMBL3028207

Cc1cc(Nc2nc(-c3ccccc3)cc3nc(-c4ccccc4)cn23)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.55
GSK3A P49840 2/20 0.55
ITK Q08881 1/20 0.48
AURKA O14965 11/20 0.46
AURKB Q96GD4 9/20 0.46
SRC P12931 3/20 0.46
EIF2AK2 P19525 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IGF1R P08069 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RAD51 Q06609 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13221325 0.92 GSK3B (0.54) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13221372 0.87 GSK3B (0.52) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13221083 0.83 GSK3B (0.53) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13220968 0.80 GSK3B (0.52) GSK3BGSK3AITKAURKAAURKB
SCHEMBL3031628 0.80 GSK3A (0.42) GSK3BGSK3AITKAURKAAURKB
SCHEMBL5262600 0.79 GSK3A (0.41) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13221315 0.79 GSK3A (0.41) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13220952 0.79 GSK3B (0.53) GSK3BGSK3AITKAURKAAURKB
SCHEMBL3040486 0.78 ITK (0.41) GSK3BGSK3AITKAURKAAURKB
SCHEMBL3044813 0.78 MAPT (0.46) GSK3BGSK3AAURKAAURKBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
JP-2008516973-A 2008-05-22 JP claimed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP claimed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GSK3B 200/4885GSK3A 217/4885ITK 398/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GSK3B 200/4885GSK3A 217/4885ITK 398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.